methyl 2-cyclohexyl-2-oxidanyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-cyclohexyl-2-oxidanyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cyclohexyl-2-hydroxy-2-[4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-[4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cyclohexyl-2-hydroxy-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-[4-(2-quinolylmethoxy)phenyl]acetic acid methyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

COC(=O)C(C1CCCCC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C25H27NO4/c1-29-24(27)25(28,19-8-3-2-4-9-19)20-12-15-22(16-13-20)30-17-21-14-11-18-7-5-6-10-23(18)26-21/h5-7,10-16,19,28H,2-4,8-9,17H2,1H3